Journal of Fluorescence最新文献

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pH-triggered Fluorescent-Active Antifouling Microgels Having Disulfide Crosslinked Core for the Application of Site-Specific REDOX-Active Drug Delivery to the Triple Negative Cancer Cells MDA-MB-231. 具有二硫交联核心的ph触发荧光活性防污微凝胶用于三阴性癌细胞MDA-MB-231的位点特异性氧化还原活性药物递送。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-13 DOI: 10.1007/s10895-025-04394-9
Moumita Shee, Sovan Lal Banerjee, Ankita Dey, Piyali Basak, Mahitosh Mandal, Amit Kumar Das, Narayan Chandra Das
{"title":"pH-triggered Fluorescent-Active Antifouling Microgels Having Disulfide Crosslinked Core for the Application of Site-Specific REDOX-Active Drug Delivery to the Triple Negative Cancer Cells MDA-MB-231.","authors":"Moumita Shee, Sovan Lal Banerjee, Ankita Dey, Piyali Basak, Mahitosh Mandal, Amit Kumar Das, Narayan Chandra Das","doi":"10.1007/s10895-025-04394-9","DOIUrl":"https://doi.org/10.1007/s10895-025-04394-9","url":null,"abstract":"","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144284957","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Targeted Fluorescent Polysaccharide Platform for Solute Carrier Protein PCNA Detection and Cervical Squamous Cell Carcinoma Inhibition. 溶质载体蛋白PCNA检测及抑制宫颈鳞癌的靶向荧光多糖平台。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-13 DOI: 10.1007/s10895-025-04392-x
Mei Chen, Jinjuan Guo, Bing Xu
{"title":"Targeted Fluorescent Polysaccharide Platform for Solute Carrier Protein PCNA Detection and Cervical Squamous Cell Carcinoma Inhibition.","authors":"Mei Chen, Jinjuan Guo, Bing Xu","doi":"10.1007/s10895-025-04392-x","DOIUrl":"https://doi.org/10.1007/s10895-025-04392-x","url":null,"abstract":"<p><p>Cervical squamous cell carcinoma (CSCC) remains one of the leading causes of cancer-related deaths among women. In advanced stages, treatment is often hindered by drug resistance and severe toxic side effects. The solute carrier protein PCNA, a key regulatory factor in the cystine/glutamate antiporter system, promotes tumor progression by maintaining cellular redox balance and inhibiting ferroptosis, making it a highly promising therapeutic target. In this study, a fluorescence detection platform based on a chitosan (CS)-modified cobalt(II) coordination polymer (CP1) was developed for the highly sensitive detection of PCNA activity. By loading cyclic peptide compound 1, the platform also achieves dual diagnostic and therapeutic functions (CS@CP1@1). Upon interaction with PCNA, the fluorescence intensity of the probe is significantly reduced due to the specific binding between CP1 and PCNA enabling precise fluorescence signal response. The developed sensing platform exhibits a broad linear detection range (0.5-60 U/L) and an ultra-low limit of detection (LOD = 0.14 U/L). Cell experiments further confirmed that this system effectively inhibits PCNA activity and significantly reduces the proliferation of CSCC cells, demonstrating promising therapeutic potential.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144284959","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Impact of π-Extended Auxiliary Acceptors on the Photovoltaic Performance of Dithienosilole-Based Sensitizers. A DFT/TDDFT Investigation. π扩展辅助受体对二噻吩硅基增敏剂光电性能的影响。DFT/TDDFT调查。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-12 DOI: 10.1007/s10895-025-04404-w
Djaffar Kheffache, Manal Goudjil, Hind Guemmour, Maammar Rekis
{"title":"Impact of π-Extended Auxiliary Acceptors on the Photovoltaic Performance of Dithienosilole-Based Sensitizers. A DFT/TDDFT Investigation.","authors":"Djaffar Kheffache, Manal Goudjil, Hind Guemmour, Maammar Rekis","doi":"10.1007/s10895-025-04404-w","DOIUrl":"https://doi.org/10.1007/s10895-025-04404-w","url":null,"abstract":"<p><p>A novel series of dithienosilole-based D-A-π-A sensitizers was designed for potential application in organic photovoltaic devices by modifying the auxiliary acceptor in the reference dye B-87. Several π-extended electron-withdrawing acceptors, such as benzobisthiadiazole (BBT), thiadiazolobenzotriazole (TBT), thiadiazoloquinoxaline (TQX), pyrazinoquinoxaline (PQX), naphthothiadiazole (NTD), and naphthotriazole (NTA), were investigated for their impact on photovoltaic performance. Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) calculations were employed to analyze optical and photophysical properties, considering key photovoltaic parameters such as light harvesting efficiency (LHE), injection driving force ([Formula: see text]), free energy of regeneration ([Formula: see text]), and open circuit voltage (V<sub>OC</sub>). Additional analyses were conducted on the geometries, electronic structures, and absorption spectra of all dyes adsorbed onto the (TiO<sub>2</sub>)<sub>9</sub> anatase cluster. While π-extended auxiliary acceptors generally lowers the HOMO-LUMO gap and broadens absorption, it also reduces intramolecular charge transfer and increase electron trapping. Notably, BBT, TBT, TQX, PQX, and NTD negatively affect charge transfer, leading to weakened photovoltaic performance, particularly a reduced Voc. The designed dye, featuring the π-extended acceptor naphthotriazole (NTA), demonstrates strong potential for DSSC applications due to its enhanced optoelectronic properties and efficient intramolecular charge transfer.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144275071","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Quantum Chemical Insights into Metal-Ion Enhanced NLO Response of a Fluorescent Probe for Advanced Sensing Application. 用于高级传感应用的荧光探针金属离子增强NLO响应的量子化学见解。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-10 DOI: 10.1007/s10895-025-04382-z
Asad Ullah, Muhammad Arif Ali, Sabir Ali Siddique, Muhammad Ibrahim, Hong Liang Xu, Abdul Rauf, Amal M Al-Mohaimeed, Wedad A Al-Onazi, Muhammad Arshad
{"title":"Quantum Chemical Insights into Metal-Ion Enhanced NLO Response of a Fluorescent Probe for Advanced Sensing Application.","authors":"Asad Ullah, Muhammad Arif Ali, Sabir Ali Siddique, Muhammad Ibrahim, Hong Liang Xu, Abdul Rauf, Amal M Al-Mohaimeed, Wedad A Al-Onazi, Muhammad Arshad","doi":"10.1007/s10895-025-04382-z","DOIUrl":"https://doi.org/10.1007/s10895-025-04382-z","url":null,"abstract":"<p><p>High-performance nonlinear optical (NLO) materials are essential for optoelectronic and sensing technologies, yet multifunctional systems combining fluorescence and NLO properties remain scarce. Through systematic computational analysis, we investigate 4-chloro-2-(1-phenylimidazo[1,5-a]pyridin-3-yl)phenol (IUB) complexes with strategically selected metals: alkali (Li⁺, Na⁺, K⁺) and alkaline earth (Mg<sup>2+</sup>, Ca<sup>2+</sup>) ions to probe charge/size effects, and transition metals (Ni<sup>2+</sup>, Zn<sup>2+</sup>) as contrasting d-block representatives, Ni<sup>2+</sup> for its paramagnetic fluorescence quenching and Zn<sup>2+</sup> for its closed-shell fluorescence preservation. This selection enables direct comparison of how electronic configuration (s/p-block vs d-block) and oxidation state (+ 1 vs + 2) governs optoelectronic properties. Kinetically stable metal-IUB complexes formation was confirmed with the interaction energy analysis. Metal coordination induces substantial electronic reorganization, reducing transition energies from 4.5 eV to 3.69 eV while causing bathochromic shifts in absorption (273-336 nm) and emission (281-381 nm) spectra. Divalent cations demonstrate superior performance, with Zn<sup>2+</sup> complexes achieving exceptional first hyperpolarizability (β<sub>tot</sub> = 5250 a.u.)-a 16-fold enhancement over the pristine ligand (324 a.u.)-while maintaining 96% fluorescence efficiency. This remarkable NLO response correlates with calculated interaction energies up to -364 kcal/mol and substantial charge transfer (NBO charges: 1.72-1.87 e for divalent ions). Detailed electronic structure analysis through FMO, NBO, NCI, TDM and QTAIM methods reveals that metal-specific effects govern property modifications: alkali/alkaline earth metals and Ni<sup>2+</sup> quench emission by disrupting ESIPT pathways (CI coefficients: 91-97%), while Zn<sup>2+</sup> preserves radiative decay channels through balanced orbital mixing. The observed bathochromic shifts (Δλ = 15-63 nm) and enhanced oscillator strengths (f = 0.21-0.40) demonstrate tunable light-matter interactions. These findings establish metal-doped imidazole derivatives as versatile platforms for dual-mode sensing and NLO applications, with Zn<sup>2+</sup> complexes particularly promising for integrated photonic devices. The study provides fundamental insights into structure-property relationships governing fluorescence-NLO coupling in metal-organic hybrids, enabling rational design of advanced optoelectronic materials.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144258140","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Highly Specific and Selective Fluorescent Chemosensor for Sensing of Hg(II) by a New Schiff base Ligand. 一种新的希夫碱配体用于检测汞(II)的高特异性和选择性荧光化学传感器。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-10 DOI: 10.1007/s10895-025-04393-w
Reza Azadbakht, Hesam Niknezhad, Mostafa Koolivand
{"title":"Highly Specific and Selective Fluorescent Chemosensor for Sensing of Hg(II) by a New Schiff base Ligand.","authors":"Reza Azadbakht, Hesam Niknezhad, Mostafa Koolivand","doi":"10.1007/s10895-025-04393-w","DOIUrl":"https://doi.org/10.1007/s10895-025-04393-w","url":null,"abstract":"<p><p>A novel linear tetraamine was synthesized via nitro group reduction, followed by the preparation of its Schiff base derivative (H₂L) through a reaction with 2-hydroxy-1-naphthaldehyde. The chemosensing properties of H₂L were extensively investigated using fluorescence and UV-Vis spectroscopies, revealing a pronounced fluorescence enhancement in response to mercury ions. A comparative study evaluated the impact of various metal cations-including Cr(III), Mn(II), Fe(II), Fe(III), Co(II), Ni(II), Cu(I), Cu(II), Zn(II), Cd(II), Gd(III), Na(I), K(I), Ba(II), Mg(II), Al(III), Pb(II), Sn(II), Hg(II), and Ag(I)-on the fluorescence and UV-Vis behavior of H₂L in an aqueous ethanol medium. The binding constant for Hg²⁺-L interactions was determined to be 1.32 × 10⁵ M⁻¹, with a 1:1 stoichiometry. Furthermore, H₂L exhibited a low detection limit of 1.40 × 10⁻⁸ M and a rapid response time. Notably, the presence of Hg²⁺ and Cu²⁺ ions satisfied the criteria for an INHIBIT molecular logic gate.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144258139","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Green-Synthesized Hyaluronic Acid-Conjugated Fluorescent Graphene Quantum Dots for Bioimaging and Cancer Theranostics: Synthesis, Characterization, and Cytotoxicity Assessment. 绿色合成的透明质酸共轭荧光石墨烯量子点用于生物成像和癌症治疗:合成、表征和细胞毒性评估。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-07 DOI: 10.1007/s10895-025-04388-7
Minal T Harde, Sameer Lakade, Samiksha Patokar, Mahesh P More, Shrikant Joshi, Sandesh Lodha, Prashant K Deshmukh, Sopan Nangare
{"title":"Green-Synthesized Hyaluronic Acid-Conjugated Fluorescent Graphene Quantum Dots for Bioimaging and Cancer Theranostics: Synthesis, Characterization, and Cytotoxicity Assessment.","authors":"Minal T Harde, Sameer Lakade, Samiksha Patokar, Mahesh P More, Shrikant Joshi, Sandesh Lodha, Prashant K Deshmukh, Sopan Nangare","doi":"10.1007/s10895-025-04388-7","DOIUrl":"https://doi.org/10.1007/s10895-025-04388-7","url":null,"abstract":"<p><p>Designing of fluorescent materials in biomedical sciences is gaining attention due to unique characteristics like imaging driven by diagnosis and treatment. The exploration of fluorescent materials from green sources with highlights its application arena in cancer theranostic gained significant attention of oncology researchers. Outwards to the bioimaging techniques, fluorescent graphene quantum dots (fGQDs) grasp a potential place in biomedical research. Additionally, fGQDs have tuneable surface characteristics with high fluorescence, high loading and permeation capability. The present investigation explored the green synthesis of fGQDs using star anise fruit as precursor followed by surface decorated hyaluronic acid (HA) to form conjugated HA - GQD. The advance spectral characterization was used to confirm the synthesis of fGQDs and HA-GQD. The emission at 338 nm with excitation at 576 nm promise strong fluorescence with quantum yield of 16.52%. The conjugated HA-GQDs shows prominent bioimaging capability and lower cytotoxic potential at concentration less than 40 µg/ml. While cell inhibition against MCF-7 was dramatically increases at concentration above 100 µg/mL suitable to promote synergistic inhibition with other anticancer agents. This work demonstrates a sustainable route for developing multifunctional nanomaterials with promising application in cancer theranostics.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144248232","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Sm3+ Activated Potassium Magnesium Pyrophosphate Nanophosphor: Synthesis, Structure, Optical and Luminescence Studies. Sm3+活化的焦磷酸钾镁纳米荧光粉:合成、结构、光学和发光研究。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-07 DOI: 10.1007/s10895-025-04387-8
Arti Khajuria, Vishav Deep Sharma, Pooja Khajuria, Ram Prakash
{"title":"Sm<sup>3+</sup> Activated Potassium Magnesium Pyrophosphate Nanophosphor: Synthesis, Structure, Optical and Luminescence Studies.","authors":"Arti Khajuria, Vishav Deep Sharma, Pooja Khajuria, Ram Prakash","doi":"10.1007/s10895-025-04387-8","DOIUrl":"https://doi.org/10.1007/s10895-025-04387-8","url":null,"abstract":"<p><p>K<sub>2</sub>Mg<sub>(1-x)</sub>P<sub>2</sub>O<sub>7</sub>Sm<sub>x</sub> (x = 0.5-5 mol%) pyrophosphates were synthesized using a self-propagating solution combustion approach with the objective of generating luminous material for applications involving white light-emitting diodes. The structure formation of single-phase phosphor is validated, by the XRD and the presence of pyrophosphate (P<sub>2</sub>O<sub>7</sub>)<sup>4-</sup> group is validated, by the FTIR. The HRTEM and XPS validates the morphological and electronic studies of the synthesized nanophosphor, respectively. The optical bandgap is determined by plotting the Tauc's plot using diffuse reflectance spectrum. In PL spectroscopy, at [Formula: see text]= 402 nm the Sm<sup>3+</sup> doped K<sub>2</sub>MgP<sub>2</sub>O<sub>7</sub> nanophosphor shows a sharp emission peak at 603 nm, which corresponds to the transition <sup>4</sup>G<sub>5/2</sub> → <sup>6</sup>H<sub>7/2</sub> of Sm<sup>3+</sup> ions. Furthermore, according to photometric investigations for optimum concentration, the color purity is 87%, the CCT is 1768 K, and the CIE coordinates are (x = 0.58, y = 0.42). The intact studies suggest that the phosphor is specially featured to emit in the amber region and have the potential to be used in the lamp industry, especially in solid-state lighting applications.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144248233","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Spectroscopic and Computational Analysis of 5PPD-CeO2: Insights from Fluorescence Quenching and FRET Studies. 5PPD-CeO2的光谱和计算分析:荧光猝灭和FRET研究的见解。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-05 DOI: 10.1007/s10895-025-04383-y
Kalpana Sharma, Varsha V Koppal, Raviraj Kusanur, Deepa H K
{"title":"Spectroscopic and Computational Analysis of 5PPD-CeO<sub>2</sub>: Insights from Fluorescence Quenching and FRET Studies.","authors":"Kalpana Sharma, Varsha V Koppal, Raviraj Kusanur, Deepa H K","doi":"10.1007/s10895-025-04383-y","DOIUrl":"https://doi.org/10.1007/s10895-025-04383-y","url":null,"abstract":"<p><p>This investigation explores the impact of synthesized cerium oxide nanoparticles (CeO<sub>2</sub> NPs) on the solvatochromic behaviour and fluorescence resonance energy transfer (FRET) of the compound 5-phenyl-1-pyridine-3-yl-penta-2,4-dien-1-one in various solvents. The dipole moments of this compound have been estimated using theoretical and experimental methods. Furthermore, the analysis of CeO<sub>2</sub> NPs concentration on the organic fluorophore was conducted using the Benesi-Hildebrand equation, the findings indicated a substantial transfer of energy between CeO<sub>2</sub> NPs and 5PPD.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144234257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, Fluorescence Properties and Comparison Studies on 2-aminophenol Derivatives: Insights from DFT, Topology, Non-covalent Interactions and Molecular Docking Studies. 2-氨基酚衍生物的合成、荧光性质和比较研究:来自DFT、拓扑、非共价相互作用和分子对接研究的见解。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-04 DOI: 10.1007/s10895-025-04380-1
Natarajan Elangovan, R Yogeswaran, G Ajithkumar, S K Elagan, Samy F Mahmoud
{"title":"Synthesis, Fluorescence Properties and Comparison Studies on 2-aminophenol Derivatives: Insights from DFT, Topology, Non-covalent Interactions and Molecular Docking Studies.","authors":"Natarajan Elangovan, R Yogeswaran, G Ajithkumar, S K Elagan, Samy F Mahmoud","doi":"10.1007/s10895-025-04380-1","DOIUrl":"https://doi.org/10.1007/s10895-025-04380-1","url":null,"abstract":"<p><p>In this study, Schiff base was synthesized under condensation reaction and thoroughly characterized using <sup>1</sup>H and <sup>13</sup>C NMR, FT-IR, UV-Vis, and fluorescence spectroscopy. Structural analysis revealed that these compounds predominantly exist in the E-conformation, stabilized by an intramolecular six-membered-ring hydrogen bond. Notably, chloro-functionalized Schiff bases exhibit an additional weak intramolecular C-H···Cl hydrogen bond. Photophysical studies indicate that compounds 2AM24Cl and SA2AM exclusively exhibit long-wavelength emission. Furthermore, the geometric structures, FMOs, and absorption spectrum were elucidated using DFT and TD-DFT calculations. The FMO study calculated energy gaps are 3.54 eV and 3.65 eV for 2AM24CL and SA2AM, respectively. The compounds 2AM24Cl and SA2AM show a good emission (fluorescence) spectrum, it good matched in theoretical fluorescence spectrum. Electron density distribution was visualized through color-mapped representations. Molecular docking studies demonstrated significant interactions between these Schiff base derivatives and amino acid residues, reinforcing their potential biological relevance. The 2AM24CL compound's lowest binding energy is -5.45 kcal/mol and the SA2AM compound's lowest binding energy is -5.66 kcal/mol, with an inhibition constant is 101.54 μm for 2AM24Cl and 71.33 μm for SA2AM, respectively.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144216029","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Machine Learning-Enhanced Surface Plasmon Resonance Sensor with D-Shaped Dual-Core Photonic Crystal Fiber Design. d型双核光子晶体光纤的机器学习增强表面等离子体共振传感器设计。
IF 2.6 4区 化学
Journal of Fluorescence Pub Date : 2025-06-04 DOI: 10.1007/s10895-025-04384-x
Assia Hamzaoui, Abdelaziz Aouiche, Soraya Gouder, Houssam Eddine Abdellatif, Shan Ali Khan, Ahmed Belaadi
{"title":"Machine Learning-Enhanced Surface Plasmon Resonance Sensor with D-Shaped Dual-Core Photonic Crystal Fiber Design.","authors":"Assia Hamzaoui, Abdelaziz Aouiche, Soraya Gouder, Houssam Eddine Abdellatif, Shan Ali Khan, Ahmed Belaadi","doi":"10.1007/s10895-025-04384-x","DOIUrl":"https://doi.org/10.1007/s10895-025-04384-x","url":null,"abstract":"<p><p>A D-shaped dual-core surface plasmon resonance (SPR) sensor based on photonic crystal fibers (PCFs) has been created, and its sensing capabilities were evaluated through the finite element method (FEM). The design features a square lattice arrangement of air holes, with two central holes removed to form a D-shaped dual-core structure. The sensor's performance was assessed using both wavelength and amplitude interrogation approaches. It achieved a maximum wavelength sensitivity of 16,000 nm/RIU for y-polarized light at an analyte refractive index (RI) of 1.38, along with a peak amplitude sensitivity of 765.21 RIU<sup>-1</sup> at the same RI, and a wavelength resolution of 2.5 × 10<sup>-6</sup> RIU. Furthermore, machine learning (ML) techniques, particularly artificial neural networks (ANN), were employed to predict confinement loss (CL) with high accuracy, without the need for the imaginary component of the effective RI. For an RI of 1.32, the ANN model achieved a mean squared error (MSE) of 3.5363 × 10<sup>-6</sup>, showcasing the model's reliability in forecasting sensor performance.</p>","PeriodicalId":15800,"journal":{"name":"Journal of Fluorescence","volume":" ","pages":""},"PeriodicalIF":2.6,"publicationDate":"2025-06-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144215933","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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